SCHEMBL8528568

SCHEMBL8528568

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3c(F)c(N4CCOCC4)ccc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
GRIA2 P42262 11/20 0.35
CYP2C19 P33261 1/20 0.34
IDH2 P48735 2/20 0.33
RORC P51449 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LRRK2 Q5S007 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL90849 0.88 BRD4 (0.37) BRD4IDH2CCNT1CDK9ALDH1A1
SCHEMBL8576076 0.74 USP30 (0.33) ALDH1A1LMNAHPGD
SCHEMBL90961 0.71 GRIA2 (0.42) GRIA2CYP2C19CCNT1CDK9
SCHEMBL8545306 0.70 ESR1 (0.36) BRD4CCNT1CDK9ALDH1A1LMNA
SCHEMBL8547161 0.68 IKBKB (0.44) CCNT1CDK9
SCHEMBL8528196 0.67 GRIA2 (0.42) GRIA2CYP2C19
SCHEMBL11936359 0.66 CNR2 (0.50) GRIA2IDH2SMN1; SMN2
SCHEMBL90919 0.66 BRD4 (0.34) BRD4ALDH1A1HPGDSMN1; SMN2LRRK2
SCHEMBL90996 0.66 GRIA2 (0.43) GRIA2CYP2C19CCNT1CDK9
SCHEMBL11936355 0.64 CNR2 (0.48) GRIA2IDH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R BRD4 482/4885GRIA2 634/4885CYP2C19 1933/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.